O-alpha-D-Mannopyranosyl-L-serine
Basic information
- CAS
78609-14-0- Standard SMILES
N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O- InChIKey
HGTOXWOVJAONKK-DHGOSONXSA-N- Molecular formula
- C9H17NO8
- Average molar mass
- 267.23 g/mol
- Monoisotopic mass
- 267.0954165
Overview
O-(alpha-D-mannosyl)-L-serine is an O-glycosyl-L-serine and a non-proteinogenic L-alpha-amino acid.
Names & identifiers
- Preferred name
- O-alpha-D-Mannopyranosyl-L-serine
- IUPAC
- (2S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
- English name
- O-mannopyranosylserine
- Molecular formula
- C9H17NO8
- Molecular weight
- 267.23
Names & synonyms
O-MannopyranosylserineO-Man-ser78609-14-0DTXSID901307676O-alpha-D-mannopyranosyl-L-serineRefChem:928034DTXCID801737608O-Mannopyranosyl-L-serineO-(alpha-D-mannosyl)-L-serineO-(alpha-D-mannopyranosyl)-L-serine3-O-(alpha-D-mannopyranosyl)-L-serine(2S)-2-amino-3-(alpha-D-mannopyranosyloxy)propanoic acid
Show more names
CHEBI:37556O-I+/--D-Mannopyranosyl-L-serineL-Serine, O-alpha-D-mannopyranosyl-(2S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acidQ27117188(2S)-2-Amino-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
Database identifiers
- CAS
78609-14-0- PubChem CID
- 132873
- DTXSID
DTXSID901307676- ChEBI
CHEBI:37556
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 584.493 · 584.493±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.635 · 1.635±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.048 · 2.048±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: O-(alpha-D-mannosyl)-L-serine is an O-glycosyl-L-serine and a non-proteinogenic L-alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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